1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene

C20H27F — CID 145233135

IUPAC1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESCC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1
InChIInChI=1S/C10H13F.C10H14/c1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3
InChIKeyTYRSRSJJASTTMV-UHFFFAOYSA-N
MW286.43 g/mol
LogP5.91
Rot. Bonds4

About 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene

1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene (PubChem CID 145233135) has the molecular formula C20H27F and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
PubChem CID145233135
Molecular FormulaC20H27F
Molecular Weight286.43 g/mol
Exact Mass286.21
IUPAC Name1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESCC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1
InChIInChI=1S/C10H13F.C10H14/c1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3
InChIKeyTYRSRSJJASTTMV-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
formic acid;2-methylpropylbenzene
CID 162001374
methane;2-methylpropylbenzene;pentane
CID 162015938
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The IUPAC name of 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene (CID 145233135) is 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene.
What is the SMILES notation for 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The canonical SMILES for 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene is CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.
What is the InChIKey of 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The InChIKey is TYRSRSJJASTTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H14/c1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3.
What are the key properties of 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene has a molecular weight of 286.43 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene is sourced from PubChem (CID 145233135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).